1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide

C19H22F2N4O5 — CID 90745425

IUPAC1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide
SMILESCOCNC(=O)c1nn(-c2cc(F)c(N3CCOCC3)cc2F)cc(COC)c1=O
InChIInChI=1S/C19H22F2N4O5/c1-28-10-12-9-25(23-17(18(12)26)19(27)22-11-29-2)16-8-13(20)15(7-14(16)21)24-3-5-30-6-4-24/h7-9H,3-6,10-11H2,1-2H3,(H,22,27)
InChIKeyUEYYHKXCDCESJB-UHFFFAOYSA-N
MW424.40 g/mol
LogP0.83
Rot. Bonds7

About 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide

1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide (PubChem CID 90745425) has the molecular formula C19H22F2N4O5 and a molecular weight of 424.40 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide
PubChem CID90745425
Molecular FormulaC19H22F2N4O5
Molecular Weight424.40 g/mol
Exact Mass424.16
IUPAC Name1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide
SMILESCOCNC(=O)c1nn(-c2cc(F)c(N3CCOCC3)cc2F)cc(COC)c1=O
InChIInChI=1S/C19H22F2N4O5/c1-28-10-12-9-25(23-17(18(12)26)19(27)22-11-29-2)16-8-13(20)15(7-14(16)21)24-3-5-30-6-4-24/h7-9H,3-6,10-11H2,1-2H3,(H,22,27)
InChIKeyUEYYHKXCDCESJB-UHFFFAOYSA-N
XLogP0.83
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxy-4-oxopyridazine-3-carboxylic acid
CID 58072528
3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one
CID 58072486
1-(2,4-difluorophenyl)-5-ethyl-4-oxopyridazine-3-carboxylic acid
CID 63952437
methyl (Z)-2-[(2,5-difluoro-4-morpholin-4-ylphenyl)diazenyl]-3-hydroxy-4-methoxybut-2-enoate
CID 165341106
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
3-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,4-dimethoxy-N-methyl-5-oxo-4H-pyridazine-6-carboxamide
CID 87562630
N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide
CID 91247452
2-ethylsulfanyl-N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 67286799
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
5-methyl-4-oxo-1-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)pyridazine-3-carboxylic acid
CID 58072520
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide (CID 90745425) is 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide is COCNC(=O)c1nn(-c2cc(F)c(N3CCOCC3)cc2F)cc(COC)c1=O.
What is the InChIKey of 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is UEYYHKXCDCESJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O5/c1-28-10-12-9-25(23-17(18(12)26)19(27)22-11-29-2)16-8-13(20)15(7-14(16)21)24-3-5-30-6-4-24/h7-9H,3-6,10-11H2,1-2H3,(H,22,27).
What are the key properties of 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide?
1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-morpholin-4-ylphenyl)-N,5-bis(methoxymethyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90745425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).